(3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C20H28N4O — CID 46953029

IUPAC(3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCc1cc(CN2CC3C[C@@H](O)CN3C[C@H]2C)c(C)n1-c1ccccn1
InChIInChI=1S/C20H28N4O/c1-14-8-17(16(3)24(14)20-6-4-5-7-21-20)11-22-12-18-9-19(25)13-23(18)10-15(22)2/h4-8,15,18-19,25H,9-13H2,1-3H3/t15-,18?,19-/m1/s1
InChIKeyPPWHSKGSNNVHRE-QYHYLKRQSA-N
MW340.47 g/mol
LogP2.13
Rot. Bonds3

About (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 46953029) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID46953029
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCc1cc(CN2CC3C[C@@H](O)CN3C[C@H]2C)c(C)n1-c1ccccn1
InChIInChI=1S/C20H28N4O/c1-14-8-17(16(3)24(14)20-6-4-5-7-21-20)11-22-12-18-9-19(25)13-23(18)10-15(22)2/h4-8,15,18-19,25H,9-13H2,1-3H3/t15-,18?,19-/m1/s1
InChIKeyPPWHSKGSNNVHRE-QYHYLKRQSA-N
XLogP2.13
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,7R,8aR)-2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92600767
(3S,7R)-2-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211401
(3S,7R)-3-methyl-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110225830
(3S,7R,8aR)-2-[(2-fluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95856971
(3S,7R,8aR)-2-[(3,4-dichlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95792254
(3S,7R,8aS)-3-methyl-2-(quinoxalin-6-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857024
(3R,7R,8aS)-2-[(3-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857054
(3R,7R)-2-[[1-[(3,4-dichlorophenyl)methyl]pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 46960337
(3R,7R,8aS)-3-methyl-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857033
(3S,7R,8aR)-2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95792258
3-[[(3S,7R,8aR)-7-hydroxy-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-6-methylchromen-4-one
CID 92560038
(3S,7R,8aS)-3-methyl-2-[(4-methylsulfanylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857008

Frequently Asked Questions

What is the IUPAC name of (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 46953029) is (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is Cc1cc(CN2CC3C[C@@H](O)CN3C[C@H]2C)c(C)n1-c1ccccn1.
What is the InChIKey of (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is PPWHSKGSNNVHRE-QYHYLKRQSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-8-17(16(3)24(14)20-6-4-5-7-21-20)11-22-12-18-9-19(25)13-23(18)10-15(22)2/h4-8,15,18-19,25H,9-13H2,1-3H3/t15-,18?,19-/m1/s1.
What are the key properties of (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 340.47 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 46953029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).